ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate | C18H28N2O3

2-Methyl-2-propanyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate

  • Molecular FormulaC18H28N2O3
  • Average mass320.427 Da
  • Monoisotopic mass320.209991 Da
  • ChemSpider ID29358849

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperidinecarboxylic acid, 4-hydroxy-4-[[(phenylmethyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(benzylamino)methyl]-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(Benzylamino)méthyl]-4-hydroxy-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1352925-68-8 [RN]
tert-butyl 4-[(benzylamino)methyl]-4-hydroxy-piperidine-1-carboxylate
tert-Butyl 4-[(benzylamino)methyl]-4-hydroxypiperidine-1-carboxylate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-42066]
    • Safety:

      20/21/22 Novochemy [NC-42066]
      20/21/36/37/39 Novochemy [NC-42066]
      GHS07; GHS09 Novochemy [NC-42066]
      H332; H403 Novochemy [NC-42066]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-42066]
      R52/1175 Novochemy [NC-42066]
      Warning Novochemy [NC-42066]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 442.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 221.2±25.9 °C
Index of Refraction: 1.542
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 13.93
Polar Surface Area: 62 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

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